Basic information
- CAS
51811-45-1- Standard SMILES
NC(=O)Nc1cc(Nc2nc(F)nc(F)c2Cl)ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].[Na+].[Na+]- InChIKey
NKHYBWNQSRXAQY-UHFFFAOYSA-L- Molecular formula
- C17H10ClF2N7Na2O7S2
- Average molar mass
- 607.9 g/mol
- Monoisotopic mass
- 606.9535106
Overview
See other relationships...
Names & identifiers
- Preferred name
- 1,3-Benzenedisulfonic acid, 4-[2-[2-[(aminocarbonyl)amino]-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]diazenyl]-, sodium salt (1:2)
- IUPAC
- disodium;4-[[2-(carbamoylamino)-4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl]diazenyl]benzene-1,3-disulfonate
- English name
- 1,3-Benzenedisulfonic acid, 4-[[2-[(aminocarbonyl)amino] -4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino ]phenyl]azo]-, disodium salt
- Molecular formula
- C17H13ClF2N7NaO7S2
- Molecular weight
- 587.89
Names & synonyms
73019-07-5DTXSID408903261,3-Benzenedisulfonic acid, 4-((2-((aminocarbonyl)amino)-4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)azo)-, disodium salt1,3-Benzenedisulfonic acid, 4-(2-(2-((aminocarbonyl)amino)-4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)diazenyl)-, sodium salt (1:2)4-((2-((Aminocarbonyl)amino)-4-((2,4-difluoro-5-chloropyrimid-6-yl)amino)phenyl)azo)-1,3-benzenedisulfonic acid, disodium salt1,3-Benzenedisulfonic acid, 4-[[2-[(aminocarbonyl)amino]-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]azo]-, disodium salt1,3-Benzenedisulfonic acid, 4-[2-[2-[(aminocarbonyl)amino]-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]diazenyl]-, sodium salt (1:2)RefChem:72463DTXCID60102957851811-45-1610-738-0615-887-5
Show more names
4-[[2-[(Aminocarbonyl)amino]-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]azo]-1,3-benzenedisulfonic acid disodium salt
Properties
Computed structural properties
- Topological polar surface area
- 249 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,000
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Benzenedisulfonic acid, 4-[[2-[(aminocarbonyl)amino]-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]azo]-, disodium salt (73019-07-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenedisulfonic acid, 4-[2-[2-[(aminocarbonyl)amino]-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]diazenyl]-, sodium salt (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…